SCHEMBL24852168

SCHEMBL24852168

CC1(O)CC(c2ccc(Cc3cc4ccccc4[nH]c3=O)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 6/20 0.54
▸ KDM4E B2RXH2 9/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ TSHR P16473 4/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK1 P28482 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24852638 0.85 DAO (0.43) IL4I1KDM4ECYP2C9HSD17B10LMNA
SCHEMBL24851945 0.82 IL4I1 (0.56) IL4I1KDM4EALDH1A1TSHRCYP3A4
SCHEMBL24852549 0.78 IL4I1 (0.52) IL4I1KDM4EALDH1A1TSHRCYP3A4
SCHEMBL24852748 0.78 IL4I1 (0.52) IL4I1KDM4EALDH1A1TSHRCYP3A4
SCHEMBL24852548 0.78 IL4I1 (0.52) IL4I1KDM4EALDH1A1TSHRCYP3A4
SCHEMBL24852579 0.77 IL4I1 (0.51) IL4I1KDM4EALDH1A1TSHRCYP3A4
SCHEMBL24852004 0.77 IL4I1 (0.54) IL4I1KDM4EALDH1A1TSHRHPGD
SCHEMBL24852649 0.75 IL4I1 (0.63) IL4I1KDM4EALDH1A1TSHRCYP3A4
SCHEMBL30162864 0.74 IL4I1 (0.50) IL4I1KDM4EALDH1A1TSHRCYP3A4
SCHEMBL30162602 0.74 IL4I1 (0.54) IL4I1KDM4EALDH1A1TSHRCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 — — US disclosed
EP-4362978-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-05-08 — — EP disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 — — WO disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN IL4I1 1/4885KDM4E 878/4885ALDH1A1 648/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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